Formaldehyde around 3.5 and 5.7-µm: measurement and calculation of broadening coefficients

International audienceSelf- and N2-broadening coefficients of H2CO have been retrieved in both the 3.5 and 5.7-μm spectral regions. These coefficients have been measured in FT spectra for transitions with various J (from 0 to 25) and K values (from 0 to 10), showing a clear dependence with both rotational quantum numbers J and K. First, an empirical model is presented to reproduce the rotational dependence of the measured self- and N2-broadening coefficients. Then, calculations of N2-broadening of H2CO were made for some for 3296 2 transitions using the semi-classical Robert-Bonamy formalism. These calculations have been done for various temperatures in order to obtain the temperature dependence of the line widths. Finally, self- and N2-broadening coefficients, as well as temperature dependence of the N2-widths has been generated to complete the whole HITRAN 2008 version of formaldehyde (available as supplementary materials)

New laboratory measurements of CH4 in Titan's conditions and a reanalysis of the DISR near-surface spectra at the Huygens landing site

International audienceLaboratory spectra of methane-nitrogen mixtures have been recorded in the near-infrared range (1.0 - 1.65 µm) in conditions similar to Titan's near surface, to facilitate the interpretation of the DISR/DLIS spectra taken during the last phase of the descent of the Huygens Probe, when the surface was illuminated by a surface science lamp. We used a 0.03 cm-1 spectral resolution, adequate to resolve the lines at high pressure (pN2 ~ 1.5 bar). By comparing the laboratory spectra with synthetic calculations in the well-studied ν2 + 2ν3 band (7515-7620 cm-1), we determine a methane absorption column density of 178±20 cm-am and a temperature of 118±10 K in our experiment. From this, we derive the methane absorption coefficients over 1.0-1.65 µm with a 0.03 cm-1 sampling, allowing for the extrapolation of the results to any other methane column density under the relevant pressure and temperature conditions. We then revisit the calibration and analysis of the Titan "lamp-on" DLIS spectra. We infer a 5.1±0.8 % methane mixing ratio in the first 25 m of Titan's atmosphere. The CH4 mixing ratio measured 90 sec after landing from a distance of 45 cm is found to be 0.92±0.25 times this value, thus showing no post-landing outgassing of methane in excess of ̴ 20 %. Finally, we determine the surface reflectivity as seen from 25 m and 45 cm and find that the 1500 nm absorption band is deeper in the post-landing spectrum as compared to pre-landing

Analysis of self-broadened pure rotational and rovibrational lines of methyl chloride at room temperature

International audienceRovibrational absorption spectra of methyl chloride in the spectral region between 2800 and 3200 cm 1 were recorded with a high-resolution Fourier spectrometer. A multispectrum fitting procedure was used to analyze 527 transitions of the ν1 band and to retrieve the self-broadening coefficients for various J- and K-values with an estimated accuracy around 8%. Pure rotational transitions of CH3Cl in the submillimeter/terahertz region (0.2-1.4 THz) were also investigated using two complementary techniques of frequency-multiplication and continuous-wave photomixing. 43 pure rotational self-broadening coefficients were extracted with the accuracy between 3 and 5%. The whole set of measured values was used to model the J- and K-rotational dependences of the self-broadening coefficients by second-order polynomials. In addition, semi-classical calculations were performed, based on the real symmetric-top geometry of the active molecule, an intermolecular potential model including not only the dominant electrostatic but also the short-range forces, as well as on an exact classical treatment of the relative translational motion of the colliding partners. Comparison of all experimental and theoretical results shows similar rotational dependences and no significant vibrational dependence, so that extrapolations to other spectral regions should be straightforward

Retrievals of ethane from groundbased highresolution FTIR solar observations with updated line parameters: determination of the optimum strategy for the Jungfraujoch station.

Ethane (C2H6) is the most abundant Non-Methane HydroCarbon (NMHC) in the Earth’s atmosphere, with a lifetime of approximately 2 months. Its main sources are biomass burning, natural gas loss and biofuel consumption. Oxidation by the hydroxyl radical is the major C2H6 sink as it controls its strong modulation throug the year. C2H6 is involved in the formation of tropospheric O3 and in the destruction of atmospheric methane through changes in OH. C2H6 is an indirect greenhouse gas with a net-global warming potential of 5.5 (100-yr horizon). Updates of retrieval parameters such as the spectroscopic linelists have been recently published. We will therefore characterize three µ-windows encompassing the strongest C2H6 features after careful selection of these new parameters, accounting at best for all interfering species. The aim is to lessen the fitting residuals while maximizing the information content, the precision and the reliability of the retrieved product. We will present updated C2H6 total and tropospheric column time series, using the SFIT-2 algorithm (v3.91) and high-resolution Fourier Transform Infrared (FTIR) solar absorption spectra recorded with a Bruker 120HR instrument, at the high altitude research station of the Jungfraujoch (46.5°N, 8.0°E, 3580 m asl), within the framework of the Network for the Detection of Atmospheric Composition Change (NDACC, http://www.ndacc.org). Comparisons with synthetic data produced by chemical transport models will also be presented

Greenland and Canadian Arctic ice temperature profiles database

Here, we present a compilation of 95 ice temperature profiles from 85 boreholes from the Greenland ice sheet and peripheral ice caps, as well as local ice caps in the Canadian Arctic. Profiles from only 31 boreholes (36 %) were previously available in open-access data repositories. The remaining 54 borehole profiles (64 %) are being made digitally available here for the first time. These newly available profiles, which are associated with pre-2010 boreholes, have been submitted by community members or digitized from published graphics and/or data tables. All 95 profiles are now made available in both absolute (meters) and normalized (0 to 1 ice thickness) depth scales and are accompanied by extensive metadata. These metadata include a transparent description of data provenance. The ice temperature profiles span 70 years, with the earliest profile being from 1950 at Camp VI, West Greenland. To highlight the value of this database in evaluating ice flow simulations, we compare the ice temperature profiles from the Greenland ice sheet with an ice flow simulation by the Parallel Ice Sheet Model (PISM). We find a cold bias in modeled near-surface ice temperatures within the ablation area, a warm bias in modeled basal ice temperatures at inland cold-bedded sites, and an apparent underestimation of deformational heating in high-strain settings. These biases provide process level insight on simulated ice temperatures

Line mixing calculation in the nu6 Q-branches of N2-broadened CH3Br at low temperatures

International audienceIn an early study [Tran H, Jacquemart D, Mandin JY, Lacome N, JQSRT 2008;109:119-31], line mixing effects of the 6 band of methyl bromide were observed and modeled at room temperature. In the present work, line mixing effects have been considered at low temperatures using state-to-state collisional rates which were modeled by a fitting law based on the energy gap and a few fitting parameters. To validate the model, several spectra of methyl bromide perturbed by nitrogen have been recorded at various temperatures (205-299K) and pressures (230-825 hPa). Comparisons between measured spectra and calculations using both direct calculation from relaxation operator and Rosenkranz profile have been performed showing improvement compared to the usual Lorentz profile. Note that the temperature dependence of the spectroscopic parameters has been taken into account using results of previous studies

Line-mixing in the QQ sub branches of the nu1 band of methyl chloride

International audienceLine-mixing effects have been studied in the ν1 QQK (K from 0 to 10) sub branches of methyl chloride (CH3Cl) perturbed by nitrogen (N2). Laboratory Fourier transform spectra have been recorded at room temperature for various pressures of atmospheric interest. In order to accurately model these spectra, a theoretical approach accounting for line-mixing effects is necessary and proposed in this study. The common model used in this work is based on the state-to-state rotational cross-sections calculated by a statistical modified exponential-gap fitting law depending on few empirical parameters. These parameters have been deduced by least-squares fitting a sum rule to the N2-broadening coefficients modeled previously. Comparisons between experimental and calculated spectra for various QQ sub branches and various pressures of N2 demonstrate the adequacy of the model as compared to the use of the Voigt profile

Développement d'une procédure d'ajustement simultané de plusieurs spectres obtenus par transformation de Fourier (détermination des paramètres de raies de l'acétylène dans les régions à 5 micron et 13,6 micron)

PARIS-BIUSJ-Thèses (751052125) / SudocPARIS-BIUSJ-Physique recherche (751052113) / SudocSudocFranceF

Recommended acetylene line list in the 20 − 240 cm ^–1 and 400 − 630 cm ^–1 regions: new measurements and global modeling

International audienceA new recommended 12C2H2 line list for the 13 − 248 cm–1 and 390 − 634 cm–1 regions is presented. It is based on the results of the global modeling of the line positions and intensities performed in Tomsk within the framework of the method of effective operators. To validate the Tomsk calculations new measurements of both line positions and intensities were performed using acetylene spectra recorded between 25 and 680 cm−1 with the AILES-A beamline of SOLEIL synchrotron. Line positions and intensities of 627 transitions belonging to 9 bands have been measured for the first time in this region. Using the results of these new measurements and the published results of the measurements in the 13 − 248 cm–1 and 390 − 634 cm–1 regions performed with the same facilities new fittings of the line intensities for the ∆P = 0 and ∆P = 1 series of transitions have been performed. Here P = 5v1 + 3v2 + 5v3 + v4 + v5 is a polyad number, where v1, v2, v3, v4, and v5 are the principal quantum numbers of the acetylene harmonic oscillators. These new sets of the effective dipole moment parameters were used to generate the line list which contains the line positions and intensities of 39 and 29 bands, respectively for the ∆P = 0 and ∆P = 1 series of transitions. None of these bands is present in the HITRAN 2012 and GEISA 2015 databases. This paper presents the first part of a global work on the validation of Tomsk calculations